Discrete-continuum interaction for the core-hole state of water

Vincenzo Carravetta; Hans Ågren; Amary Cesar

doi:10.1016/0009-2614(88)80301-4

Discrete-continuum interaction for the core-hole state of water

Vincenzo Carravetta^*
, Hans Ågren
, Amary Cesar

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

21 Scopus citations

Abstract

The interaction of the metastable core-hole state of the water molecule with the continua corresponding to the Auger decay channels has been evaluated in order to derive an energy contribution to the core-hole ionization potential not included in standard variational calculations. The value obtained (0.06 eV) is smaller than the relativistic and vibronic corrections but it is not negligible, considering the experimental accuracy.

Original language	English
Pages (from-to)	210-214
Number of pages	5
Journal	Chemical Physics Letters
Volume	148
Issue number	2-3
DOIs	https://doi.org/10.1016/0009-2614(88)80301-4
State	Published - 8 Jul 1988
Externally published	Yes

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title = "Discrete-continuum interaction for the core-hole state of water",

abstract = "The interaction of the metastable core-hole state of the water molecule with the continua corresponding to the Auger decay channels has been evaluated in order to derive an energy contribution to the core-hole ionization potential not included in standard variational calculations. The value obtained (0.06 eV) is smaller than the relativistic and vibronic corrections but it is not negligible, considering the experimental accuracy.",

author = "Vincenzo Carravetta and Hans {\AA}gren and Amary Cesar",

year = "1988",

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doi = "10.1016/0009-2614(88)80301-4",

language = "英语",

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T1 - Discrete-continuum interaction for the core-hole state of water

AU - Carravetta, Vincenzo

AU - Ågren, Hans

AU - Cesar, Amary

PY - 1988/7/8

Y1 - 1988/7/8

N2 - The interaction of the metastable core-hole state of the water molecule with the continua corresponding to the Auger decay channels has been evaluated in order to derive an energy contribution to the core-hole ionization potential not included in standard variational calculations. The value obtained (0.06 eV) is smaller than the relativistic and vibronic corrections but it is not negligible, considering the experimental accuracy.

AB - The interaction of the metastable core-hole state of the water molecule with the continua corresponding to the Auger decay channels has been evaluated in order to derive an energy contribution to the core-hole ionization potential not included in standard variational calculations. The value obtained (0.06 eV) is smaller than the relativistic and vibronic corrections but it is not negligible, considering the experimental accuracy.

UR - https://www.scopus.com/pages/publications/0008636713

U2 - 10.1016/0009-2614(88)80301-4

DO - 10.1016/0009-2614(88)80301-4

M3 - 文章

AN - SCOPUS:0008636713

SN - 0009-2614

VL - 148

SP - 210

EP - 214

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 2-3

ER -

Discrete-continuum interaction for the core-hole state of water

Abstract

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